2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine

C24H25F2NO2 — CID 21269750

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine
SMILESCC(C)(CCCc1cccc(Oc2ccccc2)n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H25F2NO2/c1-24(2,18-13-15-21(16-14-18)29-23(25)26)17-7-9-19-8-6-12-22(27-19)28-20-10-4-3-5-11-20/h3-6,8,10-16,23H,7,9,17H2,1-2H3
InChIKeyOTTJMZILVMULBT-UHFFFAOYSA-N
MW397.47 g/mol
LogP6.78
Rot. Bonds9

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine

2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine (PubChem CID 21269750) has the molecular formula C24H25F2NO2 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine
PubChem CID21269750
Molecular FormulaC24H25F2NO2
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine
SMILESCC(C)(CCCc1cccc(Oc2ccccc2)n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H25F2NO2/c1-24(2,18-13-15-21(16-14-18)29-23(25)26)17-7-9-19-8-6-12-22(27-19)28-20-10-4-3-5-11-20/h3-6,8,10-16,23H,7,9,17H2,1-2H3
InChIKeyOTTJMZILVMULBT-UHFFFAOYSA-N
XLogP6.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine (CID 21269750) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine is CC(C)(CCCc1cccc(Oc2ccccc2)n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine?
The InChIKey is OTTJMZILVMULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO2/c1-24(2,18-13-15-21(16-14-18)29-23(25)26)17-7-9-19-8-6-12-22(27-19)28-20-10-4-3-5-11-20/h3-6,8,10-16,23H,7,9,17H2,1-2H3.
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine?
2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine has a molecular weight of 397.47 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]-4-methylpentyl]-6-phenoxypyridine is sourced from PubChem (CID 21269750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).